SCHEMBL863171

SCHEMBL863171

Cc1ccnc(-c2cccc(-c3ccccn3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
CCR1 P32246 4/20 0.67
CCR5 P51681 4/20 0.67
CCR8 P51685 4/20 0.67
LMNA P02545 3/20 0.67
TP53 P04637 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALOX15 P16050 2/20 0.67
HTT P42858 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALPL P05186 1/20 0.67
HSP90AA1 P07900 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
MAPK1 P28482 1/20 0.67
METAP1 P53582 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Terpyridine SCHEMBL5047400 0.98 KDM4E (0.64) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL17132034 0.93 CCR1 (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL563123 0.92 CCR1 (0.74) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL28342586 0.92 CCR1 (0.74) KDM4ECCR1CCR5CCR8LMNA
Iodide SCHEMBL28395658 0.90 CCR1 (0.71) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL4890661 0.90 CCR1 (0.71) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL23632748 0.85 CCR1 (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL1104803 0.84 CCR1 (0.64) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL6495938 0.84 CCR1 (0.61) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL8009665 0.83 CCR1 (0.65) KDM4ECCR1CCR5CCR8LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530477-B2 Cycloheptatriene molybdenum (0) precursors for deposition of molybdenum films APPLIED MATERIALS, INC. (US) 2022-12-20 US disclosed
US-20220220607-A1 CYCLOHEPTATRIENE MOLYBDENUM (0) PRECURSORS FOR DEPOSITION OF MOLYBDENUM FILMS APPLIED MATERIALS, INC. (US) 2022-07-14 US disclosed
US-8507679-B2 Heteroleptic, dual tridentate Ru(II) complexes as sensitizers for dye-sensitized solar cells NATIONAL TSING HUA UNIVERSITY (TW) 2013-08-13 US disclosed
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2012-03-29 US disclosed
US-7420058-B2 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2008-09-02 US disclosed
US-20070120121-A1 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11530477-B2 Cycloheptatriene molybdenum (0) precursors for deposition of molybdenum films CISD2, SPR, CPNE4 KDM4E 934/4885CCR1 352/4885CCR5 142/4885
US-20120073660-A1 HETEROLEPTIC, DUAL TRIDENTATE RU(II) COMPLEXES AS SENSITIZERS FOR DYE-SENSITIZED SOLAR CELLS RUVBL2, RUVBL1, CCNL2 KDM4E 3201/4885CCR1 1938/4885CCR5 3302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.